BAS 03018998
TL;DR: BAS 03018998 (CAS 483320-87-2) is a chemical compound with molecular formula C21H24N4O2S and molecular weight 396.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-ethyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-ethylphenyl)acetamide
Also Known As: BAS 03018998, 2-{[4-ethyl-5-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-ethylphenyl)acetamide, 2-((4-ethyl-5-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-ethylphenyl)acetamide, 2-[4-ethyl-5-(2-methoxyphenyl)(1,2,4-triazol-3-ylthio)]-N-(2-ethylphenyl)aceta mide
| Molecular Formula | C21H24N4O2S |
|---|---|
| Molecular Weight | 396.16 g/mol |
| LogP | 4.2668 |
| Topological Polar Surface Area | 69.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 396.162 |
| Heavy Atoms | 28 |
| Complexity | 955.08356 |
Chemical Identifiers
| CAS Number | 483320-87-2 |
|---|---|
| SMILES | CCC1=CC=CC=C1NC(=O)CSC2=NN=C(N2CC)C3=CC=CC=C3OC |
Product Overview
BAS 03018998 (CAS 483320-87-2), with molecular formula C21H24N4O2S and molecular weight 396.16 g/mol. IUPAC: 2-[[4-ethyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-ethylphenyl)acetamide.
Chemical Property Profile of BAS 03018998
Property Insights of BAS 03018998
The XLogP value of 4.2668 indicates that BAS 03018998 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.04 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 03018998. Following Lipinski's Rule of Five, BAS 03018998 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 03018998?
The CAS number of BAS 03018998 is 483320-87-2.
What is the molecular formula of BAS 03018998?
The molecular formula of BAS 03018998 is C21H24N4O2S.
What is the molecular weight of BAS 03018998?
The molecular weight of BAS 03018998 is 396.16 g/mol.
Where can I buy BAS 03018998?
You can request a quote for BAS 03018998 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 03018998?
Yes, KEHONG BIO provides custom synthesis services for BAS 03018998 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.